(2S)-2-acetamido-N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-4-methyl-valeramide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl)NC(=O)C

InChI

InChI=1S/C22H27ClN4O3S/c1-12(2)7-19(26-13(3)28)21(29)25-11-16-9-15-8-14(10-17(23)20(15)30-16)18-5-6-24-22(27-18)31-4/h5-6,8,10,12,16,19H,7,9,11H2,1-4H3,(H,25,29)(H,26,28)/t16?,19-/m0/s1